6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine

C22H23FN4O3S — CID 108775128

IUPAC6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine
SMILESO=S(=O)(c1ccc(CCNc2ccc(-c3ccc(F)cc3)nn2)cc1)N1CCOCC1
InChIInChI=1S/C22H23FN4O3S/c23-19-5-3-18(4-6-19)21-9-10-22(26-25-21)24-12-11-17-1-7-20(8-2-17)31(28,29)27-13-15-30-16-14-27/h1-10H,11-16H2,(H,24,26)
InChIKeyATGPUPHBSKXYRB-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.96
Rot. Bonds7

About 6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine

6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine (PubChem CID 108775128) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine
PubChem CID108775128
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine
SMILESO=S(=O)(c1ccc(CCNc2ccc(-c3ccc(F)cc3)nn2)cc1)N1CCOCC1
InChIInChI=1S/C22H23FN4O3S/c23-19-5-3-18(4-6-19)21-9-10-22(26-25-21)24-12-11-17-1-7-20(8-2-17)31(28,29)27-13-15-30-16-14-27/h1-10H,11-16H2,(H,24,26)
InChIKeyATGPUPHBSKXYRB-UHFFFAOYSA-N
XLogP2.96
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline
CID 139019834
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195
N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 9331335
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine
CID 108775153
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine
CID 108774984
2,2-dimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]propanamide
CID 108736609
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine
CID 108775026
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 9402832
3-(4-fluorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 33003807
4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine
CID 56575792
4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
CID 28719609

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine (CID 108775128) is 6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine is O=S(=O)(c1ccc(CCNc2ccc(-c3ccc(F)cc3)nn2)cc1)N1CCOCC1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine?
The InChIKey is ATGPUPHBSKXYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c23-19-5-3-18(4-6-19)21-9-10-22(26-25-21)24-12-11-17-1-7-20(8-2-17)31(28,29)27-13-15-30-16-14-27/h1-10H,11-16H2,(H,24,26).
What are the key properties of 6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine?
6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine has a molecular weight of 442.52 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 108775128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).